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CHEBI:170173 - PA(14:0/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:170173
ChEBI NamePA(14:0/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H69O8P
Net Charge0
Average Mass696.947
Monoisotopic Mass696.47301
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C39H69O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-14-12-10-8-6-4-2/h11,13,16-17,19-20,22,24,37H,3-10,12,14-15,18,21,23,25-36H2,1-2H3,(H2,42,43,44)/b13-11-,17-16-,20-19-,24-22-/t37-/m1/s1
InChIKeyIFFSRUXPTALKJN-KSWWOFDNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(14:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:170173) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
LMGP10010106LIPID MAPS
74876557ChemSpider
HMDB0114790HMDB